[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol

C9H11F3N2O3 — CID 134666113

IUPAC[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1c(OC(F)(F)F)cc(CN)nc1CO
InChIInChI=1S/C9H11F3N2O3/c1-16-8-6(4-15)14-5(3-13)2-7(8)17-9(10,11)12/h2,15H,3-4,13H2,1H3
InChIKeyPOCGDHJJYPTYRD-UHFFFAOYSA-N
MW252.19 g/mol
LogP0.94
Rot. Bonds4

About [6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol

[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 134666113) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is [6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID134666113
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1c(OC(F)(F)F)cc(CN)nc1CO
InChIInChI=1S/C9H11F3N2O3/c1-16-8-6(4-15)14-5(3-13)2-7(8)17-9(10,11)12/h2,15H,3-4,13H2,1H3
InChIKeyPOCGDHJJYPTYRD-UHFFFAOYSA-N
XLogP0.94
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134670225
[4-amino-6-(fluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118811822
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666290
[5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118837036
[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131607923
[4-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668178
[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665913
[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294
[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118831104
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094281

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol (CID 134666113) is [6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol is COc1c(OC(F)(F)F)cc(CN)nc1CO.
What is the InChIKey of [6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is POCGDHJJYPTYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-16-8-6(4-15)14-5(3-13)2-7(8)17-9(10,11)12/h2,15H,3-4,13H2,1H3.
What are the key properties of [6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 252.19 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 134666113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).